methyl 2-{[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
methyl 2-{[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E711-0031 |
| Compound Name: | methyl 2-{[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C23 H22 Cl N3 O3 |
| Smiles: | COC(c1ccccc1NC(c1c2CCCCCn2c(c2ccc(cc2)[Cl])n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4971 |
| logD: | 5.4291 |
| logSw: | -5.8562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.646 |
| InChI Key: | ZBELPSMJCXJWEW-UHFFFAOYSA-N |